SCHEMBL5135801

SCHEMBL5135801

CCCCn1c(CN(Cc2cccc(OCC)c2)Cc2cccc3ccccc23)cnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MAPT P10636 2/20 0.39
TLR7 Q9NYK1 6/20 0.36
NPBWR1 P48145 1/20 0.36
BCHE P06276 5/20 0.36
C5AR1 P21730 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5134517 0.93 PPARG (0.43) PPARGPPARAMAPTTLR7BCHE
SCHEMBL5135533 0.91 PPARG (0.44) PPARGPPARAMAPTNPBWR1C5AR1
SCHEMBL648541 0.91 BCHE (0.42) PPARGPPARAMAPTTLR7BCHE
SCHEMBL5072389 0.90 TSHR (0.41) PPARGPPARAC5AR1TSHRHPGD
SCHEMBL5137333 0.90 BCHE (0.44) PPARGPPARAMAPTBCHEC5AR1
SCHEMBL5135729 0.90 PPARG (0.40) PPARGPPARAMAPTC5AR1TSHR
SCHEMBL5137856 0.87 C5AR1 (0.39) PPARGPPARABCHEC5AR1TSHR
SCHEMBL5134565 0.86 PPARG (0.42) PPARGPPARAMAPTTLR7NPBWR1
SCHEMBL5137298 0.86 PPARG (0.39) PPARGPPARAMAPTNPBWR1C5AR1
SCHEMBL5072207 0.86 PPARG (0.39) PPARGPPARAC5AR1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed